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Quantum pKa calculation module

QUANTUM pKa module identifies all possible ionized species of a given small molecule and calculates their concentration in the whole range of pH (from 0 to 14). Quantum ionization constant prediction technology is applicable to any molecular structure. You can order pka research services based on protein structure indicated below or purchase Quantum software to do research in-house:


PDB ID: 2TCI

Title: X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL

Functional Class: Hormone

Primary citation: Whittingham, J.L.,Chaudhuri, S.,Dodson, E.J.,Moody, P.C.,Dodson, G.G. X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol. Biochemistry v34 pp.15553-15563, 1995

Abstract Title: X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.

Keywords: Scrofa), Parabens, Phenol, Process, Folding, Insulin, Zinc, Phenols, Physiological, Crystallization, Insulin-like, Ligands, (2tci:b,, Hormone, Animals, (2tci:a,, Swine, Small, Thiocyanate, Thiocyanates, Scrofa, Region, (sus, Proteins, D2tci.1, Extracellular, Activity, Protein, Crystallography, D2tci.2, X-ray, Insulin, Software application for prediction of the acid-base ionization constant, Pka titratable groups protein protonation states determination, Pka titratable groups of a protein, Protein protonation states determination pka of pka and pkb, Range of organic compounds, Structure-fragment, Database, Structures, Experimental pka values, Innovative, Pka calculation, Ionization constant table, Pka activator, Fast and highly-reliable prediction, Physico-chemical properties prediction, Pka db, Pka, Pka, Acid-base ionization constant, Pka prediction, Pka calculation, Pka databases, Hammett-type equations, Pka of amino acids, Observed dissociation constants, Macroscopic dissociation constant, Microscopic dissociation constant, Constant of dissociation, Pka weak acid database of experimental pka values, Ionization, Macroscopic pka, Microscopic pka, Prediction of pka, Software for pka prediction, Software for pka calculation, Software for phisico-chemical properties prediction, The value of the ionization constant, Prediction of physico-chemical properties, Pka of indicator dissociation, Ionization, Pka values, Database, Pka log, Macroscopic properties, Macroscopic properties prediction, Macroscopic properties calculation, Calculation of pka, Software for calculation of pka, Software for prediction of pka, Calculation of microscopic dissociation constant,


 
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